SCHEMBL5217538

SCHEMBL5217538

FC(F)(F)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
S1PR3 Q99500 1/20 0.51
KIF11 P52732 4/20 0.47
CASP3 P42574 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
DPP4 P27487 2/20 0.44
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.42
GFER P55789 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
AHR P35869 1/20 0.41
HRH4 Q9H3N8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28879162 0.91 ADORA3 (0.52) S1PR1S1PR3KIF11CASP3ADORA3
SCHEMBL29894012 0.88 S1PR1 (0.46) S1PR1S1PR3KIF11CASP3ADORA3
SCHEMBL8031410 0.88 LMNA (0.62) S1PR1S1PR3KIF11CASP3ADORA3
SCHEMBL7228785 0.85 KIF11 (0.52) S1PR1S1PR3KIF11ADORA3DPP4
SCHEMBL30862210 0.83 KIF11 (0.58) S1PR1S1PR3KIF11ADORA3DPP4
SCHEMBL4717972 0.82 KIF11 (0.54) S1PR1S1PR3KIF11CASP3GFER
SCHEMBL22497605 0.82 KIF11 (0.48) S1PR1S1PR3KIF11CASP3ADORA3
SCHEMBL29414652 0.82 KIF11 (0.48) S1PR1S1PR3KIF11CASP3ADORA3
SCHEMBL17269505 0.81 KIF11 (0.62) S1PR1KIF11ADORA3DPP4LMNA
SCHEMBL3561230 0.79 ADORA2A (0.49) S1PR1S1PR3KIF11LMNAGFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
EP-1028959-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP disclosed
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-6121202-A 2-((THIENYL OR FURYL) (OXY OR THIO))-PYRIDINE AND 6-((THIENYL OR FURYL) (OXY OR THIO))-PYRIMIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-09-19 US disclosed
EP-1028959-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 2000-08-23 EP disclosed
WO-1999024427-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 S1PR1 2995/4885S1PR3 2108/4885KIF11 4395/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.